2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol

C13H26N2O — CID 102875894

IUPAC2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
SMILESCNC1CCC(N(CCO)C2CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-14-11-5-7-13(8-6-11)15(9-10-16)12-3-2-4-12/h11-14,16H,2-10H2,1H3
InChIKeyAHPMFYQESHMQEM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.36
Rot. Bonds5

About 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol

2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol (PubChem CID 102875894) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
PubChem CID102875894
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
SMILESCNC1CCC(N(CCO)C2CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-14-11-5-7-13(8-6-11)15(9-10-16)12-3-2-4-12/h11-14,16H,2-10H2,1H3
InChIKeyAHPMFYQESHMQEM-UHFFFAOYSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol (CID 102875894) is 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol is CNC1CCC(N(CCO)C2CCC2)CC1.
What is the InChIKey of 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol?
The InChIKey is AHPMFYQESHMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-11-5-7-13(8-6-11)15(9-10-16)12-3-2-4-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol?
2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol is sourced from PubChem (CID 102875894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).